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PDB Info pages Status search Chemie search: 2231 results BIRD

EGF

EGF
Name:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C33 H41 N5 O8
SMILES:	CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:	InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
Definition date:	2019-12-20
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

USA

USA
Name:	(E)-1-(1H-imidazol-2-yl)methanimine
Formula:	C4 H5 N3
SMILES:	n1ccnc1/C=N
InChi:	InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
Definition date:	2020-05-28
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(E)-1-(1H-imidazol-2-yl)methanimine

USD

USD
Name:	(E)-1-(pyrimidin-2-yl)methanimine
Formula:	C5 H5 N3
SMILES:	n1cccnc1/C=N
InChi:	InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
Definition date:	2020-05-28
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(E)-1-(pyrimidin-2-yl)methanimine

SZ7

SZ7
Name:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
Formula:	C9 H10 N2 O S
SMILES:	O=C(NN=Cc1sccc1)C2CC2
InChi:	InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide

PAR

PAR
Name:	PAROMOMYCIN
Formula:	C23 H45 N5 O14
SMILES:	O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO
InChi:	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Synonyms:	PAROMOMYCIN I
Definition date:	2000-08-25
Last modified:	2020-05-27
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside

MEZ

MEZ
Name:	(2E)-2-METHYLBUT-2-ENEDIOIC ACID
Formula:	C5 H6 O4
SMILES:	O=C(O)C=C(C(=O)O)C
InChi:	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
Synonyms:	MESACONIC ACID
Definition date:	2004-11-18
Last modified:	2020-05-27
Identifier:	(2E)-2-methylbut-2-enedioic acid

MOI

MOI
Name:	(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL
Formula:	C17 H19 N O3
SMILES:	OC2C=CC5C4N(CCC51c3c(OC12)c(O)ccc3C4)C
InChi:	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Synonyms:	MORPHINE
Definition date:	2003-07-29
Last modified:	2020-05-27
Identifier:	(5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol

MS1

MS1
Name:	2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID
Formula:	C32 H34 N9 O15 P
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)N(C(=O)C=Cc2c(ncn2C3OC(C(O)C3O)COP(=O)(O)O)C(=O)N)Cc5nc4c(N=C(N)NC4=O)cc5)CCC(=O)O
InChi:	InChI=1S/C32H34N9O15P/c33-27(47)24-19(41(13-35-24)30-26(46)25(45)20(56-30)12-55-57(52,53)54)8-9-21(42)40(11-15-3-6-17-23(36-15)29(49)39-32(34)38-17)16-4-1-14(2-5-16)28(48)37-18(31(50)51)7-10-22(43)44/h1-6,8-9,13,18,20,25-26,30,45-46H,7,10-12H2,(H2,33,47)(H,37,48)(H,43,44)(H,50,51)(H2,52,53,54)(H3,34,38,39,49)/b9-8+/t18-,20+,25+,26+,30+/m0/s1
Synonyms:	BETA-DADF
Definition date:	2003-04-25
Last modified:	2020-05-27
Identifier:	N-{[4-([(2-amino-4-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]prop-2-enoyl}amino)phenyl]carbonyl}-L-glutamic acid

MTI

MTI
Name:	3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM
Formula:	C12 H17 N4 O3 S
SMILES:	O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(O)C3O
InChi:	InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1
Synonyms:	(1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL
Definition date:	2003-08-25
Last modified:	2020-05-27
Identifier:	(2S,3R,4S,5S)-3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium

CGQ

CGQ
Name:	3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
Formula:	C17 H22 N9
SMILES:	N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2
InChi:	InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+
Synonyms:	CGP40215A
Definition date:	2002-07-30
Last modified:	2020-05-27
Identifier:	(1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium

EQ3

EQ3
Name:	(3'R)-3'-hydroxy-beta,beta-caroten-4-one
Formula:	C40 H54 O2
SMILES:	CC1(CC(O)CC(C)=C1[C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C=2C(CCC(C=2C)=O)(C)C)C
InChi:	InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1
Synonyms:	3'-Hydroxyechinenone
Definition date:	2016-12-19
Last modified:	2020-05-27
Release date:	2017-01-18
Identifier:	(3'R)-3'-hydroxy-beta,beta-caroten-4-one

D2V

D2V
Name:	(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
Formula:	C28 H44 O
SMILES:	OC3CC(=C/C=C1CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)/C(=C)CC3
InChi:	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
Synonyms:	Vitamin D2
Definition date:	2008-04-30
Last modified:	2020-05-27
Identifier:	(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol

GW5

GW5
Name:	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Formula:	C25 H22 O2
SMILES:	O=C(O)C=Cc3ccc(C(=C(/c1ccccc1)CC)c2ccccc2)cc3
InChi:	InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-
Synonyms:	GW5638
Definition date:	2003-10-15
Last modified:	2020-05-27
Identifier:	(2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid

INL

INL
Name:	6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE
Formula:	C18 H21 N3 O6 S3
SMILES:	O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N
InChi:	InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)
Synonyms:	AL-6629
Definition date:	2001-03-20
Last modified:	2020-05-27
Identifier:	2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

INM

INM
Name:	4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE
Formula:	C10 H15 N3 O5 S3
SMILES:	O=S(=O)(N)c2sc1c(C(=CN(S1(=O)=O)CCCOC)N)c2
InChi:	InChI=1S/C10H15N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)
Synonyms:	AL-8520
Definition date:	2001-03-21
Last modified:	2020-05-27
Identifier:	4-amino-2-(3-methoxypropyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

INQ

INQ
Name:	6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE
Formula:	C17 H19 N3 O6 S3
SMILES:	O=S(=O)(c1sc3c(c1)C=C(N(c2cccc(O)c2)S3(=O)=O)CN4CCOCC4)N
InChi:	InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)
Synonyms:	AL-6619
Definition date:	2001-03-21
Last modified:	2020-05-27
Identifier:	2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

16C

16C
Name:	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE
Formula:	C34 H67 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
Synonyms:	C16-CERAMIDE
Definition date:	2005-11-28
Last modified:	2020-05-26
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexadecanamide

18C

18C
Name:	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE
Formula:	C36 H71 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
Synonyms:	C18-CERAMIDE
Definition date:	2007-07-16
Last modified:	2020-05-26
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide

6CM

6CM
Name:	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE
Formula:	C24 H47 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC
InChi:	InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1
Synonyms:	C6-CERAMIDE
Definition date:	2005-11-28
Last modified:	2020-05-26
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexanamide

53Q

53Q
Name:	Clomifene
Formula:	C26 H28 Cl N O
SMILES:	C(Oc1ccc(cc1)C(=C(/c2ccccc2)Cl)c3ccccc3)CN(CC)CC
InChi:	InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+
Synonyms:	1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene
Definition date:	2015-07-22
Last modified:	2020-05-26
Release date:	2015-08-19
Identifier:	2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethan-1-amine

55B

55B
Name:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
Formula:	C11 H14 O4
SMILES:	COc1cc(cc(c1O)OC)C=CCO
InChi:	InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
Synonyms:	Sinapyl alcohol
Definition date:	2015-07-27
Last modified:	2020-05-26
Release date:	2015-09-16
Identifier:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol

BUN

BUN
Name:	(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Formula:	C15 H12 O5
SMILES:	O=C(c1ccc(O)cc1O)C=Cc2cc(O)c(O)cc2
InChi:	InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
Synonyms:	2',3,4,4'-Tetrahydroxychalcone
Definition date:	2014-10-20
Last modified:	2020-05-26
Release date:	2015-10-21
Identifier:	(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

AM2

AM2
Name:	APRAMYCIN
Formula:	C21 H41 N5 O11
SMILES:	O3C(OC1OC(CO)C(N)C(O)C1O)C(NC)C(O)C4OC(OC2C(N)CC(N)C(O)C2O)C(N)CC34
InChi:	InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1
Synonyms:	NEBRAMYCIN II
Definition date:	2005-02-17
Last modified:	2020-05-26
Identifier:	(2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name)

4DY

4DY
Name:	(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
Formula:	C18 H27 N O3
SMILES:	c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O
InChi:	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
Synonyms:	Capsaicin
Definition date:	2015-04-30
Last modified:	2020-05-26
Release date:	2016-07-06
Identifier:	(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide

NQY

NQY
Name:	3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
Formula:	C26 H34 N6 O3
SMILES:	c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C
InChi:	InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide

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223532

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